N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide

C13H18N2O3S — CID 54936159

IUPACN-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide
SMILESCOCCCOCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C13H18N2O3S/c1-17-7-2-8-18-9-12(16)15-11-5-3-10(4-6-11)13(14)19/h3-6H,2,7-9H2,1H3,(H2,14,19)(H,15,16)
InChIKeyPGVYPFIGEIXUTQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.31
Rot. Bonds8

About N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide

N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide (PubChem CID 54936159) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide
PubChem CID54936159
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide
SMILESCOCCCOCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C13H18N2O3S/c1-17-7-2-8-18-9-12(16)15-11-5-3-10(4-6-11)13(14)19/h3-6H,2,7-9H2,1H3,(H2,14,19)(H,15,16)
InChIKeyPGVYPFIGEIXUTQ-UHFFFAOYSA-N
XLogP1.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
CID 115942077
N-(4-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448483
N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide
CID 60919077
4-[3-(2-methoxyethoxy)propoxymethyl]benzenecarbothioamide
CID 103402599
N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119625634
N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide
CID 102981860
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 103606770
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide
CID 61277576

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide (CID 54936159) is N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide is COCCCOCC(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide?
The InChIKey is PGVYPFIGEIXUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-17-7-2-8-18-9-12(16)15-11-5-3-10(4-6-11)13(14)19/h3-6H,2,7-9H2,1H3,(H2,14,19)(H,15,16).
What are the key properties of N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide?
N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide has a molecular weight of 282.37 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide is sourced from PubChem (CID 54936159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).